(Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine

C10H22N2 — CID 166920527

IUPAC(Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine
SMILESCC[C@@H](C)N/C=C(\CN)C(C)C
InChIInChI=1S/C10H22N2/c1-5-9(4)12-7-10(6-11)8(2)3/h7-9,12H,5-6,11H2,1-4H3/b10-7+/t9-/m1/s1
InChIKeyLLSXNDXFORLEFF-YIXGCBLDSA-N
MW170.30 g/mol
LogP1.87
Rot. Bonds5

About (Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine

(Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine (PubChem CID 166920527) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine
PubChem CID166920527
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine
SMILESCC[C@@H](C)N/C=C(\CN)C(C)C
InChIInChI=1S/C10H22N2/c1-5-9(4)12-7-10(6-11)8(2)3/h7-9,12H,5-6,11H2,1-4H3/b10-7+/t9-/m1/s1
InChIKeyLLSXNDXFORLEFF-YIXGCBLDSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]formamide
CID 55285287
N-(2-methylprop-1-enylsilyl)butan-2-amine
CID 172825506
(2Z)-2-ethylidene-3,4-difluorohexan-1-amine
CID 166651478
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
2-N-butan-2-ylbutane-1,2-diamine
CID 65383275
CID 172753617
CID 172753617
3-amino-N-butan-2-ylpropanamide
CID 16784988
butan-2-ylhydrazine;dihydrate;hydrochloride
CID 86811571
(Z)-3-(butan-2-ylamino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861069
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835446
2-N-butan-2-yl-2-methylpropane-1,2-diamine
CID 65382863
N'-[(2R)-butan-2-yl]oxamide
CID 124605597

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine (CID 166920527) is (Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine is CC[C@@H](C)N/C=C(\CN)C(C)C.
What is the InChIKey of (Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine?
The InChIKey is LLSXNDXFORLEFF-YIXGCBLDSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-9(4)12-7-10(6-11)8(2)3/h7-9,12H,5-6,11H2,1-4H3/b10-7+/t9-/m1/s1.
What are the key properties of (Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine?
(Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine is sourced from PubChem (CID 166920527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).