N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine

C11H20N2 — CID 20750217

IUPACN-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine
SMILES[C-]#[N+]C1(CN(C(C)C)C(C)C)CC1
InChIInChI=1S/C11H20N2/c1-9(2)13(10(3)4)8-11(12-5)6-7-11/h9-10H,6-8H2,1-4H3
InChIKeyIHVVFKDDCKSKRU-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.56
Rot. Bonds4

About N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine

N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 20750217) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine
PubChem CID20750217
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine
SMILES[C-]#[N+]C1(CN(C(C)C)C(C)C)CC1
InChIInChI=1S/C11H20N2/c1-9(2)13(10(3)4)8-11(12-5)6-7-11/h9-10H,6-8H2,1-4H3
InChIKeyIHVVFKDDCKSKRU-UHFFFAOYSA-N
XLogP2.56
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine (CID 20750217) is N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine is [C-]#[N+]C1(CN(C(C)C)C(C)C)CC1.
What is the InChIKey of N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is IHVVFKDDCKSKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)13(10(3)4)8-11(12-5)6-7-11/h9-10H,6-8H2,1-4H3.
What are the key properties of N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine?
N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 20750217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).