(1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine

C11H13N2P — CID 158008004

IUPAC(1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine
SMILES[C-]#[N+]c1cccc2c1CC[C@@H]2N(C)P
InChIInChI=1S/C11H13N2P/c1-12-10-5-3-4-9-8(10)6-7-11(9)13(2)14/h3-5,11H,6-7,14H2,2H3/t11-/m0/s1
InChIKeyGIANREJKKTZVQM-NSHDSACASA-N
MW204.21 g/mol
LogP2.95
Rot. Bonds1

About (1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine

(1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 158008004) has the molecular formula C11H13N2P and a molecular weight of 204.21 g/mol. Its IUPAC name is (1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine
PubChem CID158008004
Molecular FormulaC11H13N2P
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name(1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine
SMILES[C-]#[N+]c1cccc2c1CC[C@@H]2N(C)P
InChIInChI=1S/C11H13N2P/c1-12-10-5-3-4-9-8(10)6-7-11(9)13(2)14/h3-5,11H,6-7,14H2,2H3/t11-/m0/s1
InChIKeyGIANREJKKTZVQM-NSHDSACASA-N
XLogP2.95
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-4-isocyano-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide
CID 140616035
1-(dimethylamino)-2,3-dihydro-1H-inden-4-ol
CID 11789767
5-isocyano-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 123919629
1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine
CID 105436662
1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82977970
2-[(4-chloro-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-cyclopropylacetamide
CID 75436397
1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol
CID 82982631
1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82976934
3-[(4-chloro-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid
CID 122120318
2-[2-hydroxyethyl-[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-thiadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol
CID 140694142
5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82982360
2-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 58367358

Frequently Asked Questions

What is the IUPAC name of (1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine (CID 158008004) is (1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine is [C-]#[N+]c1cccc2c1CC[C@@H]2N(C)P.
What is the InChIKey of (1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GIANREJKKTZVQM-NSHDSACASA-N. The full InChI is InChI=1S/C11H13N2P/c1-12-10-5-3-4-9-8(10)6-7-11(9)13(2)14/h3-5,11H,6-7,14H2,2H3/t11-/m0/s1.
What are the key properties of (1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine?
(1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 204.21 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-isocyano-N-methyl-N-phosphanyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 158008004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).