(5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C13H27N3 — CID 42601157

IUPAC(5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(N(C)C)N1CC(C)C
InChIInChI=1S/C13H27N3/c1-10(2)7-12-8-14-13(15(5)6)16(12)9-11(3)4/h10-12H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyRMMWKKDRVRKHHQ-LBPRGKRZSA-N
MW225.38 g/mol
LogP2.29
Rot. Bonds4

About (5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine

(5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 42601157) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID42601157
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(N(C)C)N1CC(C)C
InChIInChI=1S/C13H27N3/c1-10(2)7-12-8-14-13(15(5)6)16(12)9-11(3)4/h10-12H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyRMMWKKDRVRKHHQ-LBPRGKRZSA-N
XLogP2.29
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 42601157) is (5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine is CC(C)C[C@H]1CN=C(N(C)C)N1CC(C)C.
What is the InChIKey of (5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is RMMWKKDRVRKHHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27N3/c1-10(2)7-12-8-14-13(15(5)6)16(12)9-11(3)4/h10-12H,7-9H2,1-6H3/t12-/m0/s1.
What are the key properties of (5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
(5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N-dimethyl-1,5-bis(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 42601157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).